Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Tannin Pyrogallol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Biphenyl SCHEMBL6740039 | 0.93 | ALDH1A1 (0.69) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL1160795 | 0.90 | ALDH1A1 (0.64) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Trimethylammonium SCHEMBL27803407 | 0.90 | ALDH1A1 (0.64) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL27559435 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL27559436 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL27975318 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TAAR1CYP1A2MAPK1KDM4E | |
| SCHEMBL18674172 | 0.82 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL2637802 | 0.82 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL895675 | 0.82 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL143471 | 0.82 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4137239-A | MUSCLE RELAXANTS; REDUCTION, ALKYLATION | KHROMOV BORISOV NIKOLAI V | 1979-01-30 | — | — | US | disclosed |